Molecular dynamics study on self-assembly of C36 clusters | Zendy

Yin Wang | Zendy; Li Peng | Zendy; Ning Xi-Jing | Zendy

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Molecular dynamics study on self-assembly of C36 clusters

Author(s) -

Yin Wang,

Li Peng,

Ning Xi-Jing

Publication year - 2005

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.54.2847

Subject(s) - molecular dynamics , chemical physics , gas phase , self assembly , materials science , atmosphere (unit) , nanotechnology , physics , chemistry , computational chemistry , thermodynamics

A tentative plan to prepare new clusters by self-assembly of C36 clusters in gas-phase is given in this paper. The growth process of the carbon clusters under a real He atmosphere is simulated by molecular dynamics method. We find that the ambient temperature is the key factor to affect the final structures of the n ew clusters: from 1000 to 2000 K, the new clusters keep a pod shape after self-assembly of C36 clusters; and above 2000 K, the structures of the final clusters change into a ball shape.

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